Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
--------MNPVLPEQAQEALDAFGHTASWEQRARLLLQWGERLAPLAEHERQEEHRVHG-CESLVWLLGEQ-RDG-HWRF------------RADSDARLIRGLLAVLLARVDGIETREL--ARLD--LNDWFT------CLGLSRQL-SPSRSNGL---NAVLQRMRELAGQTAG
3NKU Chain:A ((12-205))
GSLYSDERDKPLLSPTAQKKFEEYQNKLA-NLSKIIRENEGNEVSPWQEWENGLRQIYKEMIYDAFDALGVEMPKDMEVHFAGSSDLDAFVIVKNDEDIKKVKPVFDALNNLCQRIFTASINPSRLIGTPDDLFGMLKDGMVADVEATAMSILTSKPVLPRYELGEELRDKIKQEPS
General information:
TITO was launched using:
RESULT:
Template:
3NKU.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -23977 for 773 contacts (-31.0/contact) +
2D Compatibility (PS) -15195 + (NN) -9586 + (LL) 156
1D Compatibility (HY) -5200 + (ID) 1200
Total energy: -55002.0 ( -71.15 by residue)
QMean score : 0.446
(partial model without unconserved sides chains):
PDB file :
Tito_3NKU.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3NKU-query.scw
PDB file :
Tito_Scwrl_3NKU.pdb
: